Clustering data with hclust algorithm for (Study ST003461)
Reversed phase POSITIVE ION MODE (Analysis AN005687)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|---|
| N1-Methyl-2-pyridone-5-carboxamide | ME904089 | 2.35 | 1.57 | 0.53 | NA | 0.49 | 0.31 | 0.52 |
| Ornithine | ME904096 | 0.91 | 0.84 | 1.94 | NA | 1.14 | 0.68 | 0.62 |
| Acetylcarnitine | ME904051 | 1.52 | 0.92 | 0.66 | NA | 0.89 | 0.87 | 1.05 |
| Trimethylamine N-Oxide | ME904102 | 1.83 | 0.71 | 0.31 | NA | 1.26 | 0.68 | 1.05 |
| Propionylcarnitine | ME904071 | 0.81 | 0.81 | 0.55 | NA | 1.66 | 0.99 | 1.08 |
| S-Adenosylmethionine | ME904098 | 1.48 | 0.82 | 0.98 | NA | 1.29 | 0.70 | 0.62 |
| Anserine/ Homocarnosine | ME904079 | 1.40 | 0.90 | 0.84 | NA | 1.47 | 0.73 | 0.50 |
| VNK_1 | ME904164 | 1.40 | 0.90 | 0.84 | NA | 1.47 | 0.73 | 0.51 |
| 10-(Hydroxymethyl)-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one | ME904105 | 0.83 | 1.00 | 0.92 | NA | 1.50 | 0.90 | 0.78 |
| N2-neopentyl-5-methyl-1,3,4-thiadiazol-2-amine | ME904149 | 1.15 | 1.12 | 0.75 | NA | 1.19 | 1.00 | 0.62 |
| Guanidoacetic acid | ME904084 | 1.39 | 1.33 | 1.33 | NA | 0.71 | 0.61 | 0.62 |
| Methyl isonicotinate | ME904147 | 1.37 | 1.31 | 1.06 | NA | 0.72 | 0.79 | 0.69 |
| Betaine | ME904055 | 0.62 | 1.27 | 0.90 | NA | 1.09 | 0.81 | 1.38 |
| Carnitine | ME904056 | 0.71 | 1.03 | 0.97 | NA | 1.23 | 0.99 | 1.08 |
| N-Acetylornithine | ME904066 | 0.74 | 0.88 | 1.06 | NA | 1.21 | 0.87 | 1.35 |
| Leucylproline_1 | ME904139 | 0.61 | 1.18 | 0.94 | NA | 1.06 | 1.33 | 0.83 |
| Ecgonine | ME904122 | 0.75 | 1.14 | 1.17 | NA | 0.66 | 1.23 | 1.12 |
| Isovalerylcarnitine/ 2-Methylbutyroylcarnitine | ME904086 | 0.63 | 1.30 | 1.13 | NA | 0.76 | 1.26 | 0.93 |
| 6-Methoxyquinoline | ME904113 | 1.14 | 1.07 | 1.01 | NA | 0.98 | 0.62 | 1.24 |
| Serotonin | ME904099 | 1.13 | 1.13 | 1.02 | NA | 0.99 | 0.59 | 1.19 |
| FLK_1 | ME904124 | 0.81 | 1.26 | 1.07 | NA | 1.11 | 0.76 | 1.01 |
| Trigonelline | ME904161 | 0.90 | 1.15 | 1.11 | NA | 1.06 | 0.67 | 1.19 |
| Aspartame_3 | ME904118 | 0.95 | 0.98 | 1.04 | NA | 1.32 | 0.72 | 1.00 |
| Phosphocholine | ME904069 | 0.97 | 0.96 | 0.98 | NA | 1.20 | 0.86 | 1.05 |
| Allopurinol | ME904053 | 1.14 | 0.85 | 0.83 | NA | 1.17 | 0.86 | 1.14 |
| Cysteine | ME904082 | 1.13 | 0.91 | 0.83 | NA | 1.06 | 0.92 | 1.15 |
| N-Acetylarginine | ME904065 | 1.19 | 1.04 | 0.99 | NA | 1.04 | 0.84 | 0.86 |
| Thiamine | ME904100 | 1.21 | 1.05 | 0.85 | NA | 1.09 | 0.78 | 0.98 |
| Υ-Glutamylcysteine | ME904168 | 1.34 | 0.97 | 0.83 | NA | 1.14 | 0.73 | 0.93 |
| VLK_2 | ME904163 | 0.83 | 1.34 | 1.46 | NA | 0.78 | 0.87 | 0.77 |
| LLK_2 | ME904142 | 0.77 | 1.40 | 1.15 | NA | 0.99 | 0.83 | 0.86 |
| LLK_1 | ME904141 | 0.80 | 1.33 | 1.17 | NA | 0.86 | 1.01 | 0.84 |
| 2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid | ME904106 | 0.92 | 1.35 | 1.11 | NA | 0.80 | 0.93 | 0.89 |
| FLK_2 | ME904125 | 0.92 | 1.39 | 1.07 | NA | 0.84 | 0.87 | 0.91 |
| Glycylproline_1 | ME904128 | 1.15 | 0.89 | 1.33 | NA | 0.91 | 0.94 | 0.81 |
| RLK_1 | ME904153 | 1.17 | 0.94 | 1.14 | NA | 0.89 | 1.01 | 0.86 |
| L-Alanine methyl ester | ME904138 | 1.08 | 1.04 | 1.04 | NA | 0.93 | 1.05 | 0.85 |
| O-Acetylserine | ME904094 | 1.10 | 1.00 | 1.02 | NA | 1.05 | 0.99 | 0.80 |
| LLK_4 | ME904144 | 1.24 | 1.03 | 0.94 | NA | 0.93 | 1.04 | 0.73 |
| N-Acetylglutamic acid | ME904092 | 1.15 | 1.03 | 0.90 | NA | 0.96 | 1.06 | 0.84 |
| ALK_1 | ME904114 | 1.31 | 0.83 | 1.03 | NA | 1.03 | 0.97 | 0.79 |
| SLK_4 | ME904158 | 1.24 | 0.88 | 1.00 | NA | 1.09 | 0.91 | 0.83 |
| Glycylproline_2 | ME904129 | 1.25 | 0.84 | 0.97 | NA | 0.96 | 1.07 | 0.86 |
| γ-Aminobutyric acid | ME904104 | 1.16 | 0.91 | 0.92 | NA | 0.98 | 1.06 | 0.93 |
| SLK_3 | ME904157 | 0.88 | 1.35 | 0.97 | NA | 1.02 | 0.82 | 0.93 |
| N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide | ME904148 | 0.91 | 1.23 | 0.98 | NA | 0.97 | 0.95 | 0.94 |
| 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione | ME904110 | 0.89 | 1.20 | 0.92 | NA | 1.08 | 0.91 | 0.97 |
| Riboflavin | ME904097 | 0.92 | 1.24 | 0.86 | NA | 0.99 | 0.93 | 1.02 |
| Creatine | ME904081 | 1.04 | 1.05 | 1.07 | NA | 0.95 | 0.88 | 1.04 |
| Hypoxanthine | ME904061 | 0.96 | 1.02 | 1.05 | NA | 1.02 | 0.98 | 0.98 |
| Inosine | ME904062 | 1.05 | 0.95 | 0.98 | NA | 1.07 | 0.92 | 1.02 |
| O-Phosphorylethanolamine | ME904095 | 1.05 | 1.03 | 1.02 | NA | 1.04 | 0.89 | 0.96 |
| N-Acetylglucosamine | ME904091 | 1.14 | 1.12 | 1.01 | NA | 0.88 | 0.86 | 0.99 |
| Prolylleucine | ME904151 | 1.11 | 1.14 | 1.05 | NA | 0.90 | 0.91 | 0.88 |
| 1-Methyladenosine | ME904076 | 1.00 | 1.03 | 1.12 | NA | 0.89 | 1.02 | 0.96 |
| 5-Methoxytryptamine | ME904077 | 0.95 | 1.19 | 1.09 | NA | 0.90 | 0.97 | 0.91 |
| N-Acetylmannosamine | ME904093 | 0.98 | 1.20 | 1.08 | NA | 0.86 | 0.94 | 0.94 |
| Thymine | ME904101 | 0.89 | 1.04 | 1.04 | NA | 0.85 | 1.21 | 0.98 |
| Isoleucine | ME904063 | 0.87 | 1.01 | 1.07 | NA | 1.14 | 1.01 | 0.90 |
| LNK_2 | ME904146 | 0.87 | 1.07 | 1.03 | NA | 1.08 | 1.00 | 0.95 |
| Pyroglutamic acid | ME904072 | 0.82 | 1.04 | 1.16 | NA | 1.02 | 0.97 | 1.04 |
| Tiglic acid | ME904159 | 0.78 | 1.10 | 1.09 | NA | 0.93 | 1.05 | 1.10 |
| Choline | ME904058 | 0.86 | 1.08 | 1.08 | NA | 0.96 | 1.07 | 0.98 |
| Spermine | ME904074 | 0.86 | 1.08 | 1.08 | NA | 0.96 | 1.07 | 0.98 |
| INH | ME904132 | 0.82 | 1.25 | 1.20 | NA | 0.90 | 1.14 | 0.66 |
| DPK | ME904121 | 0.84 | 1.15 | 1.31 | NA | 0.92 | 1.05 | 0.75 |
| SLK_1 | ME904155 | 0.83 | 1.22 | 1.27 | NA | 0.91 | 0.99 | 0.79 |
| Leucylproline_2 | ME904140 | 0.90 | 1.10 | 1.10 | NA | 1.04 | 1.08 | 0.76 |
| α-Aspartylphenylalanine | ME904167 | 0.94 | 1.04 | 1.12 | NA | 1.01 | 1.12 | 0.75 |
| Alanine | ME904078 | 0.90 | 1.12 | 1.05 | NA | 0.96 | 1.06 | 0.90 |
| Tryptophan | ME904103 | 0.90 | 1.17 | 1.08 | NA | 0.98 | 1.01 | 0.86 |
| Ketamine | ME904135 | 0.96 | 1.08 | 1.09 | NA | 0.94 | 1.10 | 0.79 |
| Methionine | ME904088 | 0.96 | 1.08 | 1.09 | NA | 0.94 | 1.10 | 0.79 |
| Serine | ME904073 | 0.95 | 1.10 | 1.11 | NA | 0.94 | 1.05 | 0.83 |
| N3,N4-Dimethyl-L-arginine | ME904150 | 0.94 | 1.09 | 1.07 | NA | 0.98 | 1.06 | 0.83 |
| Phenylalanine | ME904068 | 0.94 | 1.09 | 1.07 | NA | 0.98 | 1.06 | 0.83 |
| 5-Methyltryptophan | ME904050 | 0.98 | 1.07 | 1.09 | NA | 1.01 | 1.00 | 0.83 |
| Leucine | ME904064 | 0.97 | 1.07 | 1.03 | NA | 1.00 | 1.04 | 0.86 |
| Glucosamine/ Galactosamine | ME904083 | 0.91 | 1.12 | 1.11 | NA | 0.92 | 1.11 | 0.81 |
| 2-Amino-4-methylpyrimidine | ME904108 | 0.93 | 1.14 | 1.10 | NA | 0.92 | 1.07 | 0.82 |
| Histidine | ME904060 | 0.93 | 1.15 | 1.11 | NA | 0.89 | 1.08 | 0.82 |
| KMK | ME904137 | 0.96 | 1.16 | 1.14 | NA | 0.87 | 1.08 | 0.76 |
| Arginine | ME904054 | 0.90 | 1.19 | 1.16 | NA | 0.86 | 1.10 | 0.76 |
| 2^-Deoxyadenosine | ME904109 | 0.91 | 1.16 | 1.13 | NA | 0.88 | 1.12 | 0.78 |
| Lysine | ME904087 | 0.91 | 1.16 | 1.13 | NA | 0.88 | 1.12 | 0.78 |
| Nicotine amide | ME904067 | 1.02 | 1.09 | 1.10 | NA | 0.91 | 1.09 | 0.76 |
| LNK_1 | ME904145 | 1.00 | 1.12 | 1.17 | NA | 0.83 | 1.10 | 0.76 |
| VNK_2 | ME904165 | 1.06 | 1.06 | 1.17 | NA | 0.83 | 1.10 | 0.78 |
| 3-Methylhistidine | ME904049 | 1.01 | 1.09 | 1.11 | NA | 0.87 | 1.19 | 0.67 |
| Proline | ME904070 | 0.99 | 0.99 | 1.05 | NA | 0.94 | 1.18 | 0.81 |
| Carnosine | ME904057 | 1.00 | 0.95 | 1.12 | NA | 0.99 | 1.17 | 0.73 |
| Cytidine | ME904059 | 1.10 | 0.93 | 1.10 | NA | 0.94 | 1.14 | 0.74 |
| Homoarginine | ME904085 | 1.10 | 0.93 | 1.10 | NA | 0.94 | 1.14 | 0.74 |
| Adenine | ME904052 | 0.93 | 0.92 | 1.30 | NA | 0.98 | 1.11 | 0.79 |
| ALK_2 | ME904115 | 1.05 | 0.92 | 1.03 | NA | 1.15 | 1.03 | 0.76 |
| GLK | ME904127 | 1.01 | 0.98 | 1.10 | NA | 1.14 | 1.01 | 0.70 |
| Υ-L-Glutamyl-L-glutamic acid | ME904169 | 0.98 | 1.00 | 1.13 | NA | 1.08 | 1.04 | 0.73 |
| APH | ME904116 | 0.98 | 1.01 | 1.21 | NA | 1.05 | 1.10 | 0.61 |
| FPH | ME904126 | 1.16 | 0.93 | 1.23 | NA | 1.02 | 1.04 | 0.57 |
| WLH | ME904166 | 1.13 | 1.20 | 1.00 | NA | 0.85 | 1.08 | 0.64 |
| SLK_2 | ME904156 | 1.01 | 1.26 | 1.00 | NA | 0.98 | 0.92 | 0.76 |
| Valine | ME904075 | 1.11 | 1.20 | 1.19 | NA | 0.90 | 0.82 | 0.77 |
| QLK | ME904152 | 1.52 | 1.03 | 1.34 | NA | 0.60 | 0.97 | 0.50 |
| GNK | ME904130 | 1.28 | 0.91 | 1.30 | NA | 0.60 | 1.15 | 0.78 |
| RLK_2 | ME904154 | 1.34 | 0.84 | 1.23 | NA | 0.69 | 1.31 | 0.52 |
| LLK_3 | ME904143 | 1.32 | 0.74 | 1.17 | NA | 0.91 | 1.24 | 0.56 |
| IPH | ME904133 | 1.32 | 0.84 | 1.07 | NA | 0.85 | 1.17 | 0.68 |
| VLK_1 | ME904162 | 1.23 | 0.93 | 1.14 | NA | 0.83 | 1.21 | 0.61 |
| 6beta-Naltrexol-d3 | ME904112 | 1.32 | 0.96 | 1.08 | NA | 0.76 | 1.06 | 0.78 |
| DLK_1 | ME904119 | 1.29 | 1.01 | 1.10 | NA | 0.91 | 1.03 | 0.58 |
| APK | ME904117 | 1.19 | 1.01 | 1.28 | NA | 0.72 | 1.16 | 0.62 |
| KLK | ME904136 | 1.16 | 1.09 | 1.21 | NA | 0.84 | 1.04 | 0.61 |
| IPK | ME904134 | 1.02 | 0.72 | 1.11 | NA | 0.87 | 1.53 | 0.70 |
| DLK_2 | ME904120 | 1.00 | 1.00 | 1.23 | NA | 0.79 | 1.34 | 0.60 |
| 2-Amino-3-methoxybenzoic acid | ME904107 | 0.89 | 1.04 | 1.03 | NA | 0.84 | 1.40 | 0.74 |
| 5-Methylcytosine | ME904111 | 0.87 | 0.96 | 0.98 | NA | 0.95 | 1.35 | 0.86 |
| Butyrylcarnitine | ME904080 | 0.87 | 0.89 | 0.95 | NA | 0.92 | 1.51 | 0.81 |
| IKK | ME904131 | 0.78 | 1.05 | 1.11 | NA | 0.96 | 1.44 | 0.59 |
| TLK | ME904160 | 0.93 | 0.98 | 1.01 | NA | 1.10 | 1.34 | 0.51 |
| EKK | ME904123 | 1.21 | 0.78 | 0.85 | NA | 1.01 | 1.27 | 0.78 |
| N8-Acetylspermidine | ME904090 | 1.18 | 1.05 | 0.80 | NA | 0.71 | 1.32 | 0.85 |
Factors:
| F1 | Sample source:Spleen | Group:CLP (24h) / 12C-Serin |
| F2 | Sample source:Spleen | Group:CLP (24h) / 13C-Serin |
| F3 | Sample source:Spleen | Group:CLP (24h) / Vehicle |
| F4 | Sample source:Spleen | Group:QC |
| F5 | Sample source:Spleen | Group:Sham / 12C-Serin |
| F6 | Sample source:Spleen | Group:Sham / 13C-Serin |
| F7 | Sample source:Spleen | Group:Sham / Vehicle |
